General Information of the Compound
| Compound ID |
CP0243822
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| Compound Name |
1-{2-cyclopropyl-4-[4-(2-methoxy- phenyl)-piperidin-1-yl]- quinazolin-6-yl}-piperidin-4-ol
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| Structure |
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| Formula |
C28H34N4O2
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| Molecular Weight |
458.606
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N1CCC(O)CC1)C1CC1
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| InChI |
InChI=1S/C28H34N4O2/c1-34-26-5-3-2-4-23(26)19-10-14-32(15-11-19)28-24-18-21(31-16-12-22(33)13-17-31)8-9-25(24)29-27(30-28)20-6-7-20/h2-5,8-9,18-20,22,33H,6-7,10-17H2,1H3
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| InChIKey |
KQOJNRJDNGMXQW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound